methyl 4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H17N3O7S/c1-27-17(22)12-6-8-13(9-7-12)18-16(21)11-19(28(2,25)26)14-4-3-5-15(10-14)20(23)24/h3-10H,11H2,1-2H3,(H,18,21)